Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50097238'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50097238 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...) Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50097238 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...) Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Ability to inhibit the matrix metalloprotease-2 by method of Knight et al using the fluorogenic peptide substrate.				Bioorg Med Chem Lett 11: 567-70 (2001) BindingDB Entry DOI: 10.7270/Q2610ZK1
					More data for this Ligand-Target Pair